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Pyruvic aldehyde dimethyl acetal |
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ID: B184420 CAS:6342-56-9 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:C(=O)(C(OC)OC)C FORMULA: C5H10O3
MASS: 118.1311
EXACT MASS: 118.0629942
INTERATOMIC DISTANCES
C 1 C 2 O 3 O 4 O 5 C 6
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C 1 0.0000
C 2 0.7504 0.0000
O 3 0.7500 1.2993 0.0000
O 4 1.3000 0.7504 1.5008 0.0000
O 5 1.2993 0.7500 1.9845 1.2993 0.0000
C 6 0.7504 1.3000 1.2993 1.9857 1.5008 0.0000
C 7 1.9857 1.3000 2.2512 0.7504 1.5008 2.6000
C 8 1.9849 1.2993 2.5986 1.5000 0.7504 2.2512
C 7 C 8
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C 7 0.0000
C 8 1.2993 0.0000
ATOMIC CHARGES
C 1 0.2071442291
C 2 0.2959112374
O 3 -0.2907939686
O 4 -0.3222661421
O 5 -0.3222661421
C 6 0.0777282912
C 7 0.1772712475
C 8 0.1772712475
BOND ANGLES
TORSION ANGLES
4 2 1 3 0.026
4 2 1 6 179.974
5 2 1 3 179.974
5 2 1 6 0.026
7 4 2 1 179.974
7 4 2 5 0.026
8 5 2 1 179.974
8 5 2 4 0.026
CHIRAL ATOMS
C 2 is chiral: counterclockwise
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